3-[(1-propylindol-3-yl)methylamino]propan-1-ol

C15H22N2O — CID 94074142

IUPAC3-[(1-propylindol-3-yl)methylamino]propan-1-ol
SMILESCCCn1cc(CNCCCO)c2ccccc21
InChIInChI=1S/C15H22N2O/c1-2-9-17-12-13(11-16-8-5-10-18)14-6-3-4-7-15(14)17/h3-4,6-7,12,16,18H,2,5,8-11H2,1H3
InChIKeyMWKXEEJHRNTSHW-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.52
Rot. Bonds7

About 3-[(1-propylindol-3-yl)methylamino]propan-1-ol

3-[(1-propylindol-3-yl)methylamino]propan-1-ol (PubChem CID 94074142) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 3-[(1-propylindol-3-yl)methylamino]propan-1-ol.

Molecular Properties

Compound Name3-[(1-propylindol-3-yl)methylamino]propan-1-ol
PubChem CID94074142
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name3-[(1-propylindol-3-yl)methylamino]propan-1-ol
SMILESCCCn1cc(CNCCCO)c2ccccc21
InChIInChI=1S/C15H22N2O/c1-2-9-17-12-13(11-16-8-5-10-18)14-6-3-4-7-15(14)17/h3-4,6-7,12,16,18H,2,5,8-11H2,1H3
InChIKeyMWKXEEJHRNTSHW-UHFFFAOYSA-N
XLogP2.52
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[3-(propylaminomethyl)indol-1-yl]pentan-1-ol
CID 66408211
N-methyl-N'-[(1-propylindol-3-yl)methyl]propane-1,3-diamine
CID 119027572
3-methoxy-N-[(1-propylindol-3-yl)methyl]propan-1-amine
CID 94074135
2-[3-(ethylaminomethyl)indol-1-yl]ethanol
CID 66409741
3-[(1-benzylindol-3-yl)methylamino]propan-1-ol
CID 119027419
3-[[1-[(4-methylphenyl)methyl]indol-3-yl]methylamino]propan-1-ol
CID 124815391
5-[3-[(2-methoxyethylamino)methyl]indol-1-yl]pentan-1-ol
CID 66401335
2-(4-fluorophenyl)-N-[(1-propylindol-3-yl)methyl]ethanamine
CID 124804470
6-[(1-methylindol-3-yl)methylamino]hexan-1-ol
CID 107849119
N-[[1-[3-(dimethylamino)propyl]indol-3-yl]methyl]dodecan-1-amine
CID 71546960
2-methyl-4-[3-(propylaminomethyl)indol-1-yl]butan-2-ol
CID 79355094
2-methyl-2-[(1-propylindol-3-yl)methylamino]propan-1-ol
CID 94074110

Frequently Asked Questions

What is the IUPAC name of 3-[(1-propylindol-3-yl)methylamino]propan-1-ol?
The IUPAC name of 3-[(1-propylindol-3-yl)methylamino]propan-1-ol (CID 94074142) is 3-[(1-propylindol-3-yl)methylamino]propan-1-ol.
What is the SMILES notation for 3-[(1-propylindol-3-yl)methylamino]propan-1-ol?
The canonical SMILES for 3-[(1-propylindol-3-yl)methylamino]propan-1-ol is CCCn1cc(CNCCCO)c2ccccc21.
What is the InChIKey of 3-[(1-propylindol-3-yl)methylamino]propan-1-ol?
The InChIKey is MWKXEEJHRNTSHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-2-9-17-12-13(11-16-8-5-10-18)14-6-3-4-7-15(14)17/h3-4,6-7,12,16,18H,2,5,8-11H2,1H3.
What are the key properties of 3-[(1-propylindol-3-yl)methylamino]propan-1-ol?
3-[(1-propylindol-3-yl)methylamino]propan-1-ol has a molecular weight of 246.35 g/mol, XLogP of 2.52, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-propylindol-3-yl)methylamino]propan-1-ol is sourced from PubChem (CID 94074142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).